CID 471794

Chembl352423

Structural Information

Molecular Formula
C19H15N3O5S3
SMILES
C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C19H15N3O5S3/c20-29(24,25)15-9-5-13(6-10-15)21-30(26,27)16-11-7-14(8-12-16)22-19(23)17-3-1-2-4-18(17)28-22/h1-12,21H,(H2,20,24,25)
InChIKey
WPDBANJEHSXMLS-UHFFFAOYSA-N
Compound name
4-[[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.0174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.02468 207.3
[M+Na]+ 484.00662 217.5
[M-H]- 460.01012 215.3
[M+NH4]+ 479.05122 216.5
[M+K]+ 499.98056 208.7
[M+H-H2O]+ 444.01466 200.5
[M+HCOO]- 506.01560 216.0
[M+CH3COO]- 520.03125 215.5
[M+Na-2H]- 481.99207 214.1
[M]+ 461.01685 211.2
[M]- 461.01795 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.